Quantum Computing
Quantum Computing

Author: National Academies of Sciences, Engineering, and Medicine

Publisher: National Academies Press

Published: 2019-04-27

Total Pages: 273

ISBN-13: 030947969X

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Quantum mechanics, the subfield of physics that describes the behavior of very small (quantum) particles, provides the basis for a new paradigm of computing. First proposed in the 1980s as a way to improve computational modeling of quantum systems, the field of quantum computing has recently garnered significant attention due to progress in building small-scale devices. However, significant technical advances will be required before a large-scale, practical quantum computer can be achieved. Quantum Computing: Progress and Prospects provides an introduction to the field, including the unique characteristics and constraints of the technology, and assesses the feasibility and implications of creating a functional quantum computer capable of addressing real-world problems. This report considers hardware and software requirements, quantum algorithms, drivers of advances in quantum computing and quantum devices, benchmarks associated with relevant use cases, the time and resources required, and how to assess the probability of success.

Modern Quantum Chemistry
Modern Quantum Chemistry

Author: Attila Szabo

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 484

ISBN-13: 0486134598

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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Advancing Chemistry and Quantum Information Science
Advancing Chemistry and Quantum Information Science

Author: National Academies of Sciences Engineering and Medicine

Publisher:

Published: 2023-11-30

Total Pages: 0

ISBN-13: 9780309698092

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The field of quantum information science (QIS) has witnessed a dramatic rise in scientific research activities in the 21st century as excitement has grown about its potential to revolutionize communications and computing, strengthen encryption, and enhance quantum sensing, among other applications. While, historically, QIS research has been dominated by the field of physics and computer engineering, this report explores how chemistry - in particular the use of molecular qubits - could advance QIS. In turn, researchers are also examining how QIS could be used to solve problems in chemistry, for example, to facilitate new drug and material designs, health and environmental monitoring tools, and more sustainable energy production. Recognizing that QIS could be a disruptive technology with the potential to create groundbreaking products and new industries, Advancing Chemistry and Quantum Information Science calls for U.S. leadership to build a robust enterprise to facilitate and support research at the intersection of chemistry and QIS. This report identifies three key research areas: design and synthesis of molecular qubit systems, measurement and control of molecular quantum systems, and experimental and computational approaches for scaling qubit design and function. Advancing Chemistry and Quantum Information Science recommends that the Department of Energy, National Science Foundation, and other funding agencies should support multidisciplinary and collaborative research in QIS, the development of new instrumentation, and facilities, centralized and open-access databases, and efforts to create a more diverse and inclusive chemical workforce.

Manipulating Quantum Systems
Manipulating Quantum Systems

Author: National Academies of Sciences, Engineering, and Medicine

Publisher: National Academies Press

Published: 2020-09-14

Total Pages: 315

ISBN-13: 0309499542

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The field of atomic, molecular, and optical (AMO) science underpins many technologies and continues to progress at an exciting pace for both scientific discoveries and technological innovations. AMO physics studies the fundamental building blocks of functioning matter to help advance the understanding of the universe. It is a foundational discipline within the physical sciences, relating to atoms and their constituents, to molecules, and to light at the quantum level. AMO physics combines fundamental research with practical application, coupling fundamental scientific discovery to rapidly evolving technological advances, innovation and commercialization. Due to the wide-reaching intellectual, societal, and economical impact of AMO, it is important to review recent advances and future opportunities in AMO physics. Manipulating Quantum Systems: An Assessment of Atomic, Molecular, and Optical Physics in the United States assesses opportunities in AMO science and technology over the coming decade. Key topics in this report include tools made of light; emerging phenomena from few- to many-body systems; the foundations of quantum information science and technologies; quantum dynamics in the time and frequency domains; precision and the nature of the universe, and the broader impact of AMO science.

Quantum Theory for Chemical Applications
Quantum Theory for Chemical Applications

Author: Jochen Autschbach

Publisher: Oxford University Press, USA

Published: 2020-09-17

Total Pages: 756

ISBN-13: 0190920807

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"Quantum Theory for Chemical Applications (QTCA) Quantum theory, or more specifically, quantum mechanics is endlessly fascinating, curious & strange, and often considered to be difficult to learn. It is true that quantum mechanics is a mathematical theory. Its scope, its predictions, the wisdom we gain from its results, all these become fully clear only in the context of the relevant equations and calculations. But the study of quantum mechanics is definitely worth the effort, and - as I like to tell my students- it is not rocket science"--

Mathematical Challenges from Theoretical/Computational Chemistry
Mathematical Challenges from Theoretical/Computational Chemistry

Author: National Research Council

Publisher: National Academies Press

Published: 1995-03-29

Total Pages: 143

ISBN-13: 030917662X

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Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Quantum Mechanics with Applications to Nanotechnology and Information Science
Quantum Mechanics with Applications to Nanotechnology and Information Science

Author: Yehuda B. Band

Publisher: Academic Press

Published: 2013-01-10

Total Pages: 993

ISBN-13: 0444537872

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Quantum mechanics transcends and supplants classical mechanics at the atomic and subatomic levels. It provides the underlying framework for many subfields of physics, chemistry and materials science, including condensed matter physics, atomic physics, molecular physics, quantum chemistry, particle physics, and nuclear physics. It is the only way we can understand the structure of materials, from the semiconductors in our computers to the metal in our automobiles. It is also the scaffolding supporting much of nanoscience and nanotechnology. The purpose of this book is to present the fundamentals of quantum theory within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology. As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today. Hence, the emphasis on new topics that are not included in older reference texts, such as quantum information theory, decoherence and dissipation, and on applications to nanotechnology, including quantum dots, wires and wells. - This book provides a novel approach to Quantum Mechanics whilst also giving readers the requisite background and training for the scientists and engineers of the 21st Century who need to come to grips with quantum phenomena - The fundamentals of quantum theory are provided within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology - Older books on quantum mechanics do not contain the amalgam of ideas, concepts and tools necessary to prepare engineers and scientists to deal with the new facets of quantum mechanics and their application to quantum information science and nanotechnology - As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today - There are many excellent quantum mechanics books available, but none have the emphasis on nanotechnology and quantum information science that this book has

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology
Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Author: Alexander V. Glushkov

Publisher: Springer Nature

Published: 2021-06-29

Total Pages: 358

ISBN-13: 3030683141

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This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

Advanced Molecular Quantum Mechanics
Advanced Molecular Quantum Mechanics

Author: R. Moss

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 251

ISBN-13: 9400956886

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This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment of Southampton University. Nowadays undergraduate chemistry courses usually include an introduction to quantum mechanics with particular reference to molecular properties and there are a number of excellent textbooks aimed specifically at undergraduate chemists. In valence theory and molecular spectroscopy physical concepts are often encountered that are normally taken on trust. For example, electron spin and the anomalous magnetic moment of the electron are usually accepted as postulates, although they are well understood by physicists. In addition, the advent of new techniques has led to experimental situations that can only be accounted for adequately by relatively sophisticated physical theory. Relativis tic corrections to molecular orbital energies are needed to explain X-ray photo electron spectra, while the use oflasers can give rise to multiphoton transitions, which are not easy to understand using the classical theory of radiation. Of course, the relevant equations may be extracted from the literature, but, if the underlying physics is not understood, this is a practice that is at best dissatisfy ing and at worst dangerous. One instance where great care must be taken is in the use of spectroscopically determined parameters to test the accuracy of elec tronic wave functions.

Introduction to Quantum Mechanics with Applications to Chemistry
Introduction to Quantum Mechanics with Applications to Chemistry

Author: Linus Pauling

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 500

ISBN-13: 0486134938

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Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.